SCHEMBL7651305

SCHEMBL7651305

O=C(CCCCI)Nc1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.47
HDAC6 Q9UBN7 12/20 0.47
HDAC3 O15379 11/20 0.47
HDAC2 Q92769 11/20 0.47
HDAC11 Q96DB2 10/20 0.47
HDAC8 Q9BY41 10/20 0.47
HDAC4 P56524 9/20 0.47
HDAC7 Q8WUI4 9/20 0.47
HDAC9 Q9UKV0 9/20 0.47
HDAC5 Q9UQL6 9/20 0.47
HDAC10 Q969S8 9/20 0.47
CYP3A4 P08684 2/20 0.47
NCOR2 Q9Y618 2/20 0.47
KDM4E B2RXH2 1/20 0.47
BRD4 O60885 1/20 0.47
NCOR1 O75376 1/20 0.47
NR1I2 O75469 1/20 0.47
EGFR P00533 1/20 0.47
LTA4H P09960 1/20 0.47
NR0B1 P51843 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7652886 0.95 CYP3A4 (0.46) HDAC1HDAC6HDAC3HDAC2HDAC11
SCHEMBL7654899 0.87 TP53 (0.43) HDAC1HDAC6HDAC3HDAC2HDAC11
SCHEMBL7649858 0.83 HDAC1 (0.49) HDAC1HDAC6HDAC3HDAC2HDAC11
SCHEMBL7649688 0.83 HDAC1 (0.49) HDAC1HDAC6HDAC3HDAC2HDAC11
SCHEMBL5306363 0.83 CA1 (0.59) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL7654180 0.83 HDAC4 (0.48) HDAC1HDAC6HDAC3HDAC2HDAC11
SCHEMBL8172506 0.82 HDAC4 (0.69) HDAC1HDAC6HDAC3HDAC2HDAC11
SCHEMBL11365418 0.81 SOAT2 (0.60) HDAC1HDAC6HDAC3HDAC2HDAC11
SCHEMBL9776434 0.81 SOAT2 (0.60) HDAC1HDAC6HDAC3HDAC2HDAC11
SCHEMBL1005094 0.81 SOAT2 (0.60) HDAC1HDAC6HDAC3HDAC2HDAC11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002536440-A 2002-10-29 JP claimed
EP-1155007-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. Searle LLC (US) 2001-11-21 EP claimed
WO-2000047568-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. SEARLE LLC (US) 2000-08-17 WO claimed
EP-1155007-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. Searle LLC (US) 2001-11-21 EP disclosed
WO-2000047568-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. SEARLE LLC (US) 2000-08-17 WO disclosed